4-(2,6-dimethoxyphenyl)-3-methylphenol

C15H16O3 — CID 116811421

IUPAC4-(2,6-dimethoxyphenyl)-3-methylphenol
SMILESCOc1cccc(OC)c1-c1ccc(O)cc1C
InChIInChI=1S/C15H16O3/c1-10-9-11(16)7-8-12(10)15-13(17-2)5-4-6-14(15)18-3/h4-9,16H,1-3H3
InChIKeyPIZNMOHYTUIINS-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.38
Rot. Bonds3

About 4-(2,6-dimethoxyphenyl)-3-methylphenol

4-(2,6-dimethoxyphenyl)-3-methylphenol (PubChem CID 116811421) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-3-methylphenol.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-3-methylphenol
PubChem CID116811421
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(2,6-dimethoxyphenyl)-3-methylphenol
SMILESCOc1cccc(OC)c1-c1ccc(O)cc1C
InChIInChI=1S/C15H16O3/c1-10-9-11(16)7-8-12(10)15-13(17-2)5-4-6-14(15)18-3/h4-9,16H,1-3H3
InChIKeyPIZNMOHYTUIINS-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-3-methylphenol?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-3-methylphenol (CID 116811421) is 4-(2,6-dimethoxyphenyl)-3-methylphenol.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-3-methylphenol?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-3-methylphenol is COc1cccc(OC)c1-c1ccc(O)cc1C.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-3-methylphenol?
The InChIKey is PIZNMOHYTUIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-9-11(16)7-8-12(10)15-13(17-2)5-4-6-14(15)18-3/h4-9,16H,1-3H3.
What are the key properties of 4-(2,6-dimethoxyphenyl)-3-methylphenol?
4-(2,6-dimethoxyphenyl)-3-methylphenol has a molecular weight of 244.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-3-methylphenol is sourced from PubChem (CID 116811421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).